7HV0

Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with ASAP-0032059-001 (A71EV2A-x3279)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-10
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.92209
Spacegroup name	C 1 2 1
Unit cell lengths	86.511, 56.885, 64.849
Unit cell angles	90.00, 94.59, 90.00

Refinement procedure

Resolution	19.980 - 1.420
R-factor	0.2062
Rwork	0.205
R-free	0.22140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	0.980
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.4 (23-JAN-2024))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.110	1.440
High resolution limit [Å]	1.420	1.420
Rmerge	0.126	1.822
Rmeas	0.137	2.052
Rpim	0.053	0.929
Total number of observations	375720	12823
Number of reflections	58442	2740
<I/σ(I)>	6.8	0.3
Completeness [%]	98.6
Redundancy	6.4	4.7
CC(1/2)	0.993	0.331

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.05	293.15	0.1 M MES, pH 6.05, 16 % PEG 20,000